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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -113.8132354 | -114.1432040 | 0.3299686 | 0.0000000 | 114.1432040 | ||||||
| cm-1 | 631.4 | 544.7 | 86.7 | ||||||||
| eV | -3097.016 | 0.078 | -3096.937 | -3105.995 | 0.068 | -3105.927 | 8.979 | 0.011 | 8.990 | 0.000 | 3105.995 |